CID 131751629

Methyl (z)-5-(1-propynyl)-2-thienylacrylate

Structural Information

Molecular Formula

C₁₁H₁₀O₂S

SMILES

CC#CC1=CC=C(S1)/C=C\C(=O)OC

InChI

InChI=1S/C11H10O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-8H,1-2H3/b8-7-

InChIKey

XXSPOWNRZKCIRF-FPLPWBNLSA-N

Compound name

methyl (Z)-3-(5-prop-1-ynylthiophen-2-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.04015 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.047426	151.7
[M+Na]+	229.029368	163.0
[M-H]-	205.032874	155.0
[M+NH4]+	224.073973	171.3
[M+K]+	245.003308	158.7
[M+H-H2O]+	189.037410	140.5
[M+HCOO]-	251.038351	165.6
[M+CH3COO]-	265.054001	189.9
[M+Na-2H]-	227.014816	150.7
[M]+	206.03960142	150.2
[M]-	206.04069858	150.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.